3-tert-butyl-3-methoxyoxetane

C8H16O2 — CID 116875915

IUPAC3-tert-butyl-3-methoxyoxetane
SMILESCOC1(C(C)(C)C)COC1
InChIInChI=1S/C8H16O2/c1-7(2,3)8(9-4)5-10-6-8/h5-6H2,1-4H3
InChIKeyBDCFSJYVHGTKCX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds1

About 3-tert-butyl-3-methoxyoxetane

3-tert-butyl-3-methoxyoxetane (PubChem CID 116875915) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-tert-butyl-3-methoxyoxetane.

Molecular Properties

Compound Name3-tert-butyl-3-methoxyoxetane
PubChem CID116875915
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-tert-butyl-3-methoxyoxetane
SMILESCOC1(C(C)(C)C)COC1
InChIInChI=1S/C8H16O2/c1-7(2,3)8(9-4)5-10-6-8/h5-6H2,1-4H3
InChIKeyBDCFSJYVHGTKCX-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methoxyoxetane?
The IUPAC name of 3-tert-butyl-3-methoxyoxetane (CID 116875915) is 3-tert-butyl-3-methoxyoxetane.
What is the SMILES notation for 3-tert-butyl-3-methoxyoxetane?
The canonical SMILES for 3-tert-butyl-3-methoxyoxetane is COC1(C(C)(C)C)COC1.
What is the InChIKey of 3-tert-butyl-3-methoxyoxetane?
The InChIKey is BDCFSJYVHGTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2,3)8(9-4)5-10-6-8/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methoxyoxetane?
3-tert-butyl-3-methoxyoxetane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methoxyoxetane is sourced from PubChem (CID 116875915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).